SCHEMBL19257549

SCHEMBL19257549

CCC(C)(C)c1cncc(NS(=O)(=O)CC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 5/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42
CYP17A1 P05093 1/20 0.40
AR P10275 1/20 0.38
KIF11 P52732 1/20 0.35
PGR P06401 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ALPL P05186 3/20 0.33
CYP11B2 P19099 2/20 0.33
NR3C2 P08235 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PIK3CB P42338 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18595673 0.87 SLC22A12 (0.45) SLC22A12CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL23562644 0.79 SLC22A12 (0.47) SLC22A12CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL19257097 0.77 CYP17A1 (0.39) CYP17A1CTSSCTSKLRRK2PPARG
SCHEMBL19257395 0.77 CYP17A1 (0.37) CYP17A1CTSSCTSKLRRK2
SCHEMBL30137071 0.77 SLC22A12 (0.55) SLC22A12CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL17996191 0.75 NR3C2 (0.44) SLC22A12CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL20993134 0.69 CYP11B2 (0.36) SLC22A12CYP3A4CYP2C9SLC22A6SLC22A8
SCHEMBL22928261 0.69 CYP3A4 (0.48) CYP3A4CYP2C9LRRK2NR3C2
SCHEMBL18745828 0.67 PIK3C3 (0.36) PIK3CB
SCHEMBL22752315 0.66 APLNR (0.47)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 US disclosed
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 SLC22A12 3665/4885CYP3A4 1392/4885CYP2C9 980/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 SLC22A12 3665/4885CYP3A4 1392/4885CYP2C9 980/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.